N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide

C17H19F4N3O2 — CID 71559173

IUPACN-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
SMILESCC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19F4N3O2/c1-16(2,14(25)22-12-8-6-11(18)7-9-12)10-4-3-5-13-23-15(26-24-13)17(19,20)21/h6-9H,3-5,10H2,1-2H3,(H,22,25)
InChIKeySEKWIKVDQOYEOC-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.61
Rot. Bonds7

About N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide

N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide (PubChem CID 71559173) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
PubChem CID71559173
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
SMILESCC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19F4N3O2/c1-16(2,14(25)22-12-8-6-11(18)7-9-12)10-4-3-5-13-23-15(26-24-13)17(19,20)21/h6-9H,3-5,10H2,1-2H3,(H,22,25)
InChIKeySEKWIKVDQOYEOC-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]benzamide
CID 167308930
methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977468
S-sulfanyl N-methyl-N-[4-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]heptanoylamino]phenyl]carbamothioate
CID 167309149
N-(3-methoxyphenyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanamide
CID 71558109
5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-1-ol
CID 167077907
N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
CID 53311739
4-methyl-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamoylamino]pentanoic acid
CID 122078908
3-bromo-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentyl]aniline
CID 166977158
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide
CID 142004010
1-pyridin-3-yl-3-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]urea
CID 146461156
methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977426
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide (CID 71559173) is N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide is CC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
The InChIKey is SEKWIKVDQOYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c1-16(2,14(25)22-12-8-6-11(18)7-9-12)10-4-3-5-13-23-15(26-24-13)17(19,20)21/h6-9H,3-5,10H2,1-2H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide?
N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide has a molecular weight of 373.35 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide is sourced from PubChem (CID 71559173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).